2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride

C8H8Cl2N2 — CID 2737445

IUPAC2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.ClCc1cn2ccccc2n1
InChIInChI=1S/C8H7ClN2.ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5H2;1H
InChIKeyXAYHUBRYLJFUIX-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.49
Rot. Bonds1

About 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride

2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride (PubChem CID 2737445) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride
PubChem CID2737445
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.ClCc1cn2ccccc2n1
InChIInChI=1S/C8H7ClN2.ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5H2;1H
InChIKeyXAYHUBRYLJFUIX-UHFFFAOYSA-N
XLogP2.49
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride (CID 2737445) is 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride is Cl.ClCc1cn2ccccc2n1.
What is the InChIKey of 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride?
The InChIKey is XAYHUBRYLJFUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2.ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5H2;1H.
What are the key properties of 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride?
2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride has a molecular weight of 203.07 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride is sourced from PubChem (CID 2737445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).